SCHEMBL3246779

SCHEMBL3246779

COc1cccc(Nc2nccc(-c3c[nH]c4ncccc34)n2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.74
CCNB1 P14635 8/20 0.74
CCNB2 O95067 7/20 0.74
CCNB3 Q8WWL7 7/20 0.74
RET P07949 6/20 0.74
CDK2 P24941 3/20 0.63
CCNE1 P24864 1/20 0.63
FLT3 P36888 1/20 0.63
CDK7 P50613 1/20 0.63
CCNH P51946 1/20 0.63
MNAT1 P51948 1/20 0.63
PIK3CG P48736 5/20 0.61
PIK3CA P42336 4/20 0.61
PIK3CB P42338 4/20 0.61
CCNT1 O60563 1/20 0.61
CCNA2 P20248 1/20 0.61
CDK9 P50750 1/20 0.61
GSK3B P49841 2/20 0.60
CDK4 P11802 1/20 0.59
DYRK1A Q13627 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3252006 0.91 RET (0.77) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL3776459 0.88 CDK1 (0.77) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL3247308 0.86 PIK3CG (0.65) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL3765454 0.85 CDK1 (1.00) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL3765467 0.84 RET (0.74) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL12723008 0.84 EGFR (0.59) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL13051124 0.84 EGFR (0.59) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL3249838 0.83 CDK1 (0.76) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL13239597 0.83 RET (0.76) CDK1CCNB1CCNB2CCNB3RET
SCHEMBL3251717 0.83 CDK1 (0.76) CDK1CCNB1CCNB2CCNB3RET

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896470-B1 PYRROLOPYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-05-26 EP claimed
US-20080300267-A1 Compounds and Compositions as Protein Kinase Inhibitors TOYO BOSEKI KABUSHIKI KAISHA (JP) 2008-12-04 US claimed
EP-1896470-A2 PYRROLOPYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-03-12 EP claimed
WO-2006124863-A2 PYRROLOPYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-11-23 WO claimed
US-7855205-B2 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-7855205-B2 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-7855205-B2 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
EP-1896470-B1 PYRROLOPYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-05-26 EP disclosed
EP-1896470-B1 PYRROLOPYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-05-26 EP disclosed
US-20080300267-A1 Compounds and Compositions as Protein Kinase Inhibitors TOYO BOSEKI KABUSHIKI KAISHA (JP) 2008-12-04 US disclosed
US-20080300267-A1 Compounds and Compositions as Protein Kinase Inhibitors TOYO BOSEKI KABUSHIKI KAISHA (JP) 2008-12-04 US disclosed
US-20080300267-A1 Compounds and Compositions as Protein Kinase Inhibitors TOYO BOSEKI KABUSHIKI KAISHA (JP) 2008-12-04 US disclosed
EP-1896470-A2 PYRROLOPYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-03-12 EP disclosed
WO-2006124863-A2 PYRROLOPYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-11-23 WO disclosed
US-20060183900-A1 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-17 US disclosed
WO-2006050076-A1 PYRIMIDINYL SUBSTITUTED FUSED-PYRROLYL COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080300267-A1 Compounds and Compositions as Protein Kinase Inhibitors ERBB2, JAK2, AURKC CDK1 38/4885CCNB1 535/4885CCNB2 374/4885
US-20060183900-A1 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders TK1, MAP3K1, MAP3K2 CDK1 71/4885CCNB1 441/4885CCNB2 358/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.